Chemical Properties of Succinic acid, 1-(2,6-difluorophenyl)ethyl nonyl ester

InChI

InChI=1S/C21H30F2O4/c1-3-4-5-6-7-8-9-15-26-19(24)13-14-20(25)27-16(2)21-17(22)11-10-12-18(21)23/h10-12,16H,3-9,13-15H2,1-2H3

InChI Key

BONBXXCKSJNQEU-UHFFFAOYSA-N

Formula

C21H30F2O4

SMILES

CCCCCCCCCOC(=O)CCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

384.46

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9715		Relay (1.0) Calculated Property
ΔfG°	-640.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1226.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.62	kJ/mol	Joback Calculated Property
ΔvapH°	104.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-5.95		Relay (1.0) Calculated Property
logPoct/wat	5.643		Crippen Calculated Property
McVol	301.410	ml/mol	McGowan Calculated Property
Pc	1170.42	kPa	Joback Calculated Property
Inp	[2427.00; 2427.00]
Inp	2427.00		NIST
Inp	2427.00		NIST
Tboil	620.97	K	Relay (1.0) Calculated Property
Tc	816.23	K	Relay (1.0) Calculated Property
Tfus	311.24	K	Relay (1.0) Calculated Property
Vc	1.126	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.57; 1028.85]	J/mol×K	[867.20; 1064.90]
Cp,gas	951.57	J/mol×K	867.20	Joback Calculated Property
Cp,gas	967.26	J/mol×K	900.15	Joback Calculated Property
Cp,gas	981.79	J/mol×K	933.10	Joback Calculated Property
Cp,gas	995.20	J/mol×K	966.05	Joback Calculated Property
Cp,gas	1007.49	J/mol×K	999.00	Joback Calculated Property
Cp,gas	1018.71	J/mol×K	1031.95	Joback Calculated Property
Cp,gas	1028.85	J/mol×K	1064.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2,6-difluorophenyl)ethyl nonyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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